Glycoside
GD157231
Name:
methyl 3-(2-hydroxyethylidene)-4-(2-methoxy-2-oxoethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C18H26O12Smiles:
COC(=O)CC1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CCOAglycone:
COC(=O)CC1C(C(=O)OC)=COC(O)C1=CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 434.39 | Num_heavy_atoms: | 30 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD62181
Formula: C12H16O7
Smiles:
COC(=O)CC1C(C(=O)OC)=COC(O)C1=CCO| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 272.25 | Num_heavy_atoms: | 19 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
